均质非平衡态分子动力学模拟铜薄膜的热导率

为研究微电子器件中薄膜的“超常”传热行为，基于等温线性响应理论（LRT）和嵌入原子法（EAM）势函数，采用均质非平衡态分子动力学方法，对铜薄膜的热导率进行了计算机数值模拟，给出了铜薄膜热导率与薄膜厚度及温度之间的关系，模拟结果符合Flik关于微尺度薄膜导热的判据并与其他文献的实验数据基本一致，表明该方法和结果可以利用于微电子器件中的微尺度传热及热应力问题的分析。

Computer simulation for thermal conductivity of copper thin film with homogenous non-equilibrium molecular dynamics

In order to study supernormal heat transfer of thin films in microelectronic devices, the authors, based on isothermal linear response theory (LRT) and embedded atom method (EAM) potential, studied thermal conductivity of copper thin films using homogeneous non\|equilibrium molecular dynamics (NEMD). The relations between thermal conductivity of copper thin films and their thickness as well as temperatures were extracted. The results observe Flik regime on microscale heat transfer and are in good agreement with the experimental data from other literature. The method and results of this paper can be used to analyze microscale heat transfer and thermal stress in microelectronic devices.